Ravi, Just come to terms with PBC: the box has no outside. Chapter 3 of the manual...
Tsjerk On Sat, Oct 11, 2008 at 1:30 PM, ravi sharma <[EMAIL PROTECTED]> wrote: > So how could i do this energy conservation, > > > Ravi Datta Sharma > Lecturer, > Bioinformatics, > Department of Microbiology, > CCS Unversity, > Meerut > > > > --- On Sat, 11/10/08, sudheer babu <[EMAIL PROTECTED]> wrote: > > From: sudheer babu <[EMAIL PROTECTED]> > Subject: [gmx-users] Re: Protein coming out of the box > To: gmx-users@gromacs.org > Date: Saturday, 11 October, 2008, 4:46 PM > > Oh...Similar type of problem once I have got, so got reply from some one in > archives that if use comm_grps= protein , protein will not come out of the > water box.So > thats why I have suggested, If I say wrong answer regret for that > > >> Hi, >> Ravi >> Use comm_grps = protein in your .mdp file. >> >> >> 3. protein coming out of the box (ravi sharma) >> > > > No! > > You will ruin energy conservation... > >> >> Hello everyone >> >> my protein coming out of the box in final md how can i fix my >> protein in the middle of the box. can you help me out?? > >> > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > ________________________________ > Add more friends to your messenger and enjoy! Invite them now. > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php